2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide

C10H10F2N2O4 — CID 79773192

IUPAC2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
SMILESCN(CCO)C(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H10F2N2O4/c1-13(4-5-15)10(16)8-6(11)2-3-7(9(8)12)14(17)18/h2-3,15H,4-5H2,1H3
InChIKeyYJTJGTFKWRTRQN-UHFFFAOYSA-N
MW260.20 g/mol
LogP0.94
Rot. Bonds4

About 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide

2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide (PubChem CID 79773192) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
PubChem CID79773192
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
SMILESCN(CCO)C(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H10F2N2O4/c1-13(4-5-15)10(16)8-6(11)2-3-7(9(8)12)14(17)18/h2-3,15H,4-5H2,1H3
InChIKeyYJTJGTFKWRTRQN-UHFFFAOYSA-N
XLogP0.94
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
N-(3-bromopropyl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 106441102
2,6-difluoro-N-methyl-3-nitro-N-prop-2-enylbenzamide
CID 104956238
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
2,6-difluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 79758984
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
N-ethyl-2,6-difluoro-3-nitro-N-prop-2-enylbenzamide
CID 103740637
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144
2,6-difluoro-3-nitrobenzamide
CID 2780101

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide (CID 79773192) is 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide is CN(CCO)C(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide?
The InChIKey is YJTJGTFKWRTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c1-13(4-5-15)10(16)8-6(11)2-3-7(9(8)12)14(17)18/h2-3,15H,4-5H2,1H3.
What are the key properties of 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide?
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide has a molecular weight of 260.20 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 79773192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).